title: Direct coupling of a gas-liquid separator to an ion mobility spectrometer for the classification of different white wines using chemometrics tools.
abstract: The potential of a vanguard technique as is the ion mobility spectrometry with ultraviolet ionization (UV-IMS) coupled to a continuous flow system (CFS) have been demonstrated in this work using a gas phase separator (GPS). This vanguard system (CFS-GPS-UV-IMS) has been used for the analysis of different types of white wines to obtain a characteristic profile for each type of wine and their posterior classification using different chemometric tools. Precision of the method was 3.1% expressed as relative standard deviation. A deep chemometric study was carried out for the classification of the four types of wines selected. The best classification performance was obtained by first reducing the data dimensionality by principal component analysis (PCA) followed by linear discriminant analysis (LDA) and finally using a k-nearest neighbour (kNN) classifier. The classification rate in an independent validation set was 92.0% classification rate value with confidence interval [89.0%, 95.0%] at 95% confidence level. The same white wines analyzed using CFS-GPS-UV-IMS were analyzed using gas chromatography with a flame detector (GC-FID) as conventional technique. The chromatographic method used for the determination of superior alcohols in wine samples shown in the Regulation CEE 1238/1992 was selected to carry out the analysis of the same samples set and later the classification using appropriate chemometrics tools. In this case, strategies PCA-LDA and kNN classifier were also used for the correct classification of the wine samples. This combination showed similar results to the ones obtained with the proposed method.
authors.affiliation: Department of Analytical Chemistry, University of Córdoba, Annex C3 Building, Campus of Rabanales, E-14071 Córdoba, Spain.
authors.forename: R
authors.initials: R
authors.lastname: Garrido-Delgado
authors.forename: L
authors.initials: L
authors.lastname: Arce
authors.forename: A V
authors.initials: AV
authors.lastname: Guamán
authors.forename: A
authors.initials: A
authors.lastname: Pardo
authors.forename: S
authors.initials: S
authors.lastname: Marco
authors.forename: M
authors.initials: M
authors.lastname: Valcárcel
mesh_terms: D002849:Chromatography, Gas; D013057:Spectrum Analysis / Q000379:methods*; D014920:Wine / Q000145:classification*